Adipato di dimetile (DMA) - AR, ≥99% , CAS No.627-93-0

CAS: 627-93-0 Cat. No.: D103057 Formula: C₈H₁₄O₄ Peso molecolare: 174.19 Beilstein Registry Number: 1707443 Numero EC: 211-020-6

GRADE & PURITY AR, ≥99%

Synonyms

Dimethyl 1,6-hexanedioate | AI3-00668 | J-660024 | MLS001065612 | EC 211-020-6 | BY71RX0R62 | hexanedioic acid dimethyl ester | Hexanedioic acid, 1,6-dimethyl ester | Tox21_201912 | BBL011467 | CHEBI:34715 | Dimethyl adipate, 98% | DIMETHYL ADIPATE [INCI]

Storage

Room temperature

Shipped In

Normale

Panoramica

Micro/nanoencapsulation for cool thermal energy storage: Dimethyl adipate has been encapsulated into a polymer shell, improving its thermal properties and making it suitable for cool thermal energy storage applications (Trivedi & Parameshwaran, 2022).
Sustainable production via non-heme iron (III) catalysis: A method for producing dimethyl adipate through oxidative cleavage of catechol using non-heme iron (III) catalysts highlights an environmentally friendly approach (Jastrzebski et al., 2015).
Boosted nitrilation for adiponitrile production: The development of bimetallic oxide catalysts for the nitrilation of dimethyl adipate to adiponitrile shows enhanced activity and selectivity, important for industrial applications (Guo et al., 2023).

Specifications

Sinonimi

Dimethyl 1,6-hexanedioate | AI3-00668 | J-660024 | MLS001065612 | EC 211-020-6 | BY71RX0R62 | hexanedioic acid dimethyl ester | Hexanedioic acid, 1,6-dimethyl ester | Tox21_201912 | BBL011467 | CHEBI:34715 | Dimethyl adipate, 98% | DIMETHYL ADIPATE [INCI]

Specifiche e purezza

AR, ≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Grado

AR

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 504752307
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752307
• Sorrisi canonici: COC(=O)CCCCC(=O)OC
• IUPAC Name: dimethyl hexanedioate
• InChIKey: UDSFAEKRVUSQDD-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
• Isomeri SMILES: COC(=O)CCCCC(=O)OC
• WGK Germania: 1
• RTECS: AV1645000
• Peso molecolare: 174.19
• Beilstein: 1707443
• Reaxy-Rn: 1707443
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707443&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: fatty acid methyl ester

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Discover Target: APEX1

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Miscible with alcohols and ether. Immiscible with water.
• Sensibilità: Moisture sensitive.
• Indice di rifrazione: 1.4285
• Punto di infiammabilità (°F): 107℃
• Punto di infiammabilità (°C): 107℃
• Punto di ebollizione (°C): 215-225 °C
• Punto di fusione (°C): 8°C
• Peso molecolare: 174.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 135.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1